1-[3-(hexoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[3-(hexoxymethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Openeye Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one CAS Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1-propanone IUPAC Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one Traditional Name: 1-[3-(hexoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one Formula: C22H37NO4 MolecularWeight: 379.53348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

Isomeric SMILES

CCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

InChI

InChI=1S/C22H37NO4/c1-5-7-8-9-12-26-15-19-13-18(21(25)6-2)10-11-22(19)27-16-20(24)14-23-17(3)4/h10-11,13,17,20,23-24H,5-9,12,14-16H2,1-4H3